>compound DL-2-Aminobutyric acid_DL-2-Aminobutyric acid
#instrument UPLC Q-Tof Premier, Waters
>formula C4H9NO2
#smiles CCC(N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100328.txt;LC-ESI-QTOF_train_data/PR100764.txt
>charge 1
>ionization [M+H]+
>parentmass 104.07113

>collision 5-60
58.0664 102.9
99.511 10.17
104.0711 29.18

>collision 5-60
102.0555 74.15

